Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2071234

PEREZONE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)=CCC[C@@H](C)C1=C(O)C(=O)C(C)=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071234
Name PEREZONE
Phase Preclinical
Structure Type MOL
InChI Key JZXORCGMYQZBBQ-SNVBAGLBSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.28
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.22

Activity Summary

IC50 5 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 5.52 5.52 3000.0 1
SK-LU-1
CHEMBL614913
 IC50 5.38 5.38 4200.0 1
PC-3
CHEMBL390
 IC50 5.19 5.19 6500.0 1
HCT-15
CHEMBL612263
 IC50 4.99 4.99 10300.0 1
Brain
CHEMBL613617
 IC50 4.31 4.31 49220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 3000.0 nM 5.52 Cytotoxicity against human K562 cells after 48 hrs by SRB assay 22858298
SK-LU-1 IC50 = 4200.0 nM 5.38 Cytotoxicity against human SKLU1 cells after 48 hrs by SRB assay 22858298
PC-3 IC50 = 6500.0 nM 5.19 Cytotoxicity against human PC3 cells after 48 hrs by SRB assay 22858298
HCT-15 IC50 = 10300.0 nM 4.99 Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay 22858298
Brain IC50 = 49220.0 nM 4.31 Antioxidant activity in Wistar rat brain homogenates assessed as inhibition of l... 22858298

Literature References

PubMed DOI Target Context # Activities
22858298 10.1016/j.bmc.2012.07.027 Brain 6
22858298 10.1016/j.bmc.2012.07.027 PC-3 1
22858298 10.1016/j.bmc.2012.07.027 K562 1
22858298 10.1016/j.bmc.2012.07.027 HCT-15 1
22858298 10.1016/j.bmc.2012.07.027 SK-LU-1 1

Data from ChEMBL 36 via Core Engine